CID 51818

Benz(c)acridine-7-methanol

Structural Information

Molecular Formula
C18H13NO
SMILES
C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4N=C32)CO
InChI
InChI=1S/C18H13NO/c20-11-16-14-7-3-4-8-17(14)19-18-13-6-2-1-5-12(13)9-10-15(16)18/h1-10,20H,11H2
InChIKey
HEDQVRLHVBZVLF-UHFFFAOYSA-N
Compound name
benzo[c]acridin-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

259.0997 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10698 156.8
[M+Na]+ 282.08892 167.6
[M-H]- 258.09242 161.0
[M+NH4]+ 277.13352 174.8
[M+K]+ 298.06286 160.6
[M+H-H2O]+ 242.09696 148.4
[M+HCOO]- 304.09790 176.3
[M+CH3COO]- 318.11355 169.1
[M+Na-2H]- 280.07437 167.8
[M]+ 259.09915 158.4
[M]- 259.10025 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.